Base information
| Cat. No. | |
| CAS No. | 42241-78-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H17BrO4 |
| Molecular Weight | 341.197 |
| Exact Mass | 340.031 |
| XLogP3 | 3.8017 |
| Mr | 81.1383 |
| PSA | 63.6 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 37 |
| Ring number | 1 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CCCCCOc1ccc(cc1)C(=O)/C(=C\C(=O)O)/Br |
